[Pw_forum] Negative frequencies in phonon calculation

[Sridhar Sadasivam]

I have restarted phonon calculations in the past with no issues. However, I
haven't tried this with the latest versions -- I think I was using espresso
5.1.

Sridhar
Purdue University

On Tue, Jan 12, 2016 at 5:56 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> Hard to say. If you get for the same system different results from a
> standard calculation and from one that was interrupted and restarted, yes,
> there is a problem. Otherwise ... there may still be a problem that shows
> up only under some circumstances.
>
> Paolo
>
> On Tue, Jan 12, 2016 at 11:20 AM, Cameron Foss <cjfoss at umass.edu> wrote:
>
>> Hello all,
>>
>> Recently I have experienced negative frequencies from a phonon
>> calculation that had been restarted after an unplanned interruption. The
>> calculation is for Transition Metal Dichalcogenide MoSe2 and WSe2. Is it
>> possible for negative frequencies to come from numerical errors from
>> restarting the calculation?
>>
>> Regards,
>> Cameron
>>
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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